input word = C00054331

Metabolite InformationStructural formula
Name Cajaninstilbene acid
Formula C21H22O4
Mw 338.15180919
CAS RN 87402-84-4
C_ID C00054331
InChIKey XPDYDSQPCFQSLH-ZHACJKMWSA-N
InChICode InChI=1S/C21H22O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3,(H,23,24)/b11-10+
SMILES COc1cc(/C=C/c2ccccc2)c(C(=O)O)c(O)c1CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCajanus cajan Ref.
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